2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one

C16H18N2O2 — CID 135989729

IUPAC2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1N/C(=N\C2CC3CCC2C3)OC1c1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15-14(11-4-2-1-3-5-11)20-16(18-15)17-13-9-10-6-7-12(13)8-10/h1-5,10,12-14H,6-9H2,(H,17,18,19)
InChIKeyVHIMODHBQCPQMU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.42
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one

2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one (PubChem CID 135989729) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one
PubChem CID135989729
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1N/C(=N\C2CC3CCC2C3)OC1c1ccccc1
InChIInChI=1S/C16H18N2O2/c19-15-14(11-4-2-1-3-5-11)20-16(18-15)17-13-9-10-6-7-12(13)8-10/h1-5,10,12-14H,6-9H2,(H,17,18,19)
InChIKeyVHIMODHBQCPQMU-UHFFFAOYSA-N
XLogP2.42
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one
CID 135564991
2-(2-bicyclo[2.2.1]heptanylimino)-5-propan-2-yl-1,3-oxazolidin-4-one
CID 135989466
2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989507
(5R)-5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
CID 135682612
(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 136842921
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-tert-butyl-1,3-thiazolidin-4-one
CID 135989484
(2R)-6-nitro-2-phenyl-4H-1,4-benzoxazin-3-one
CID 52515478
ethenyl 2-[[(1S,2S)-2-bicyclo[2.2.1]heptanyl]imino]-4-oxo-1,3-thiazolidine-5-carboxylate
CID 143468153
2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione
CID 143765053
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one (CID 135989729) is 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one is O=C1N/C(=N\C2CC3CCC2C3)OC1c1ccccc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one?
The InChIKey is VHIMODHBQCPQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15-14(11-4-2-1-3-5-11)20-16(18-15)17-13-9-10-6-7-12(13)8-10/h1-5,10,12-14H,6-9H2,(H,17,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one?
2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one has a molecular weight of 270.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylimino)-5-phenyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 135989729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).